4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol

C16H16F3NO — CID 22444344

IUPAC4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol
SMILESOCCCC(c1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-6-1-4-12(10-14)15(7-3-9-21)13-5-2-8-20-11-13/h1-2,4-6,8,10-11,15,21H,3,7,9H2
InChIKeyKKNXGLXEUHTPGL-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.00
Rot. Bonds5

About 4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol

4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol (PubChem CID 22444344) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol
PubChem CID22444344
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol
SMILESOCCCC(c1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-6-1-4-12(10-14)15(7-3-9-21)13-5-2-8-20-11-13/h1-2,4-6,8,10-11,15,21H,3,7,9H2
InChIKeyKKNXGLXEUHTPGL-UHFFFAOYSA-N
XLogP4.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol?
The IUPAC name of 4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol (CID 22444344) is 4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol.
What is the SMILES notation for 4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol?
The canonical SMILES for 4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol is OCCCC(c1cccnc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol?
The InChIKey is KKNXGLXEUHTPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)14-6-1-4-12(10-14)15(7-3-9-21)13-5-2-8-20-11-13/h1-2,4-6,8,10-11,15,21H,3,7,9H2.
What are the key properties of 4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol?
4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol has a molecular weight of 295.30 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]butan-1-ol is sourced from PubChem (CID 22444344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).